# generated using pymatgen
data_ThIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90241736
_cell_length_b   4.21333214
_cell_length_c   6.03754942
_cell_angle_alpha   90.00000000
_cell_angle_beta   108.85528290
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThIr
_chemical_formula_sum   'Th2 Ir2'
_cell_volume   93.94341264
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Th  Th0  1  0.13641739  0.75000000  0.27283478  1.0
  Th  Th1  1  0.86358261  0.25000000  0.72716522  1.0
  Ir  Ir2  1  0.40147994  0.75000000  0.80296188  1.0
  Ir  Ir3  1  0.59852006  0.25000000  0.19703812  1.0